SCHEMBL4554025

SCHEMBL4554025

CN(Cc1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)C1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
P4HB P07237 1/20 0.41
F2RL3 Q96RI0 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDM1A O60341 2/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
USP30 Q70CQ3 1/20 0.39
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACKR3 P25106 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3143239 1.00 GPR119 (0.48) GPR119MEN1KMT2AP4HBF2RL3
SCHEMBL2578100 0.84 GPR119 (0.41) GPR119MEN1KMT2AKDM1ANAMPT
SCHEMBL14138814 0.80 MEN1 (0.39) GPR119MEN1KMT2AP4HBF2RL3
SCHEMBL3139233 0.79 GAA (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL4553899 0.79 GAA (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL907209 0.76 GPR119 (0.58) GPR119MEN1KMT2AF2RL3GAA
SCHEMBL3144261 0.76 GPR119 (0.60) GPR119F2RL3GAATHRBSMN1; SMN2
SCHEMBL7508038 0.76 USP30 (0.47) GPR119MEN1KMT2AJAK2JAK1
SCHEMBL30926236 0.75 GPR119 (0.58) GPR119F2RL3GAATHRBSMN1; SMN2
SCHEMBL1773896 0.75 GPR119 (0.56) GPR119JAK2JAK1GAATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed